ergo
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#include <integral_info.h>
Public Member Functions | |
ExchWeights () | |
Public Attributes | |
ergo_real | alpha |
ergo_real | beta |
ergo_real | mu |
int | computeRangeSeparatedExchange |
shortcut for |beta| != 0 More... | |
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inline |
ergo_real JK::ExchWeights::alpha |
Referenced by es_run(), get_2e_matrices_and_energy_restricted_open(), get_2e_matrices_and_energy_simple_sparse_unrestricted(), get_2e_matrices_and_energy_sparse_unrestricted(), get_2e_matrix_and_energy_simple_sparse(), get_2e_matrix_and_energy_sparse(), get_related_integrals_hermite(), SCF_general::SCF_general(), and ErgoE2Evaluator::transform().
ergo_real JK::ExchWeights::beta |
Referenced by es_run(), get_related_integrals_hermite(), SCF_general::SCF_general(), and ErgoE2Evaluator::transform().
int JK::ExchWeights::computeRangeSeparatedExchange |
shortcut for |beta| != 0
Referenced by es_run(), get_2e_matrices_and_energy_restricted_open(), get_2e_matrices_and_energy_simple_sparse_unrestricted(), get_2e_matrices_and_energy_sparse_unrestricted(), get_2e_matrix_and_energy_simple_sparse(), get_2e_matrix_and_energy_sparse(), get_related_integrals_hermite(), SCF_general::SCF_general(), and ErgoE2Evaluator::transform().
ergo_real JK::ExchWeights::mu |
Referenced by es_run(), get_related_integrals_hermite(), SCF_general::SCF_general(), and ErgoE2Evaluator::transform().